4239-0060 Screening compound: ethyl 1-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate

4239-0060 Screening compound: ethyl 1-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate
4239-0060 Screening compound: ethyl 1-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4239-0060
ethyl 1-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4239-0060

Molecular Formula

C18H25BrN2O3 (C18 H25 BrN2 O3)

Compound Name

ethyl 1-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(CCC(Nc(cc2)cc(C)c2Br)=O)CC1)=O

InChI

InChI=1S/C18H25BrN2O3/c1-3-24-18(23)14-6-9-21(10-7-14)11-8-17(22)20-15-4-5-16(19)13(2)12-15/h4-5,12,14H,3,6-11H2,1-2H3,(H,20,22)

InChI Key

KXZCIELTFRMJDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

2.085

Water Solubility, LogSw

-3.43

Polar Surface Area

47.852

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

4239-0060 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4239-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4239-0060?
Check Price and Availability of 4239-0060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4239-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4239-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4239-0060
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4239-0060 available by request